Vitas-M small molecule compound
(E)-{2-(2-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK564822
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1OC)CC[NH+]1CCOCC1)/[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H30N2O6 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6/c1-3-16-35-20-10-8-19(9-11-20)25(30)23-24(21-6-4-5-7-22(21)33-2)29(27(32)26(23)31)13-12-28-14-17-34-18-15-28/h3-11,24,30H,1,12-18H2,2H3/b25-23+InChIKey
DUTKJJHOWGENBM-WJTDDFOZSA-NSynonyms
(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(2METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(2methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(2(2METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
3HYDROXY5(2METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)3PYRROLIN2ONE
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1OC)CC(NH+)1CCOCC1)(O)
COC1=CC=CC=C1C2C(=C(C3=CC=C(C=C3)OCC=C)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
InChI=1SC27H30N2O6c1316352010819(91120)25(30)2324(21645722(21)332)29(27(32)26(23)31)131228141734181528h3112430H11218H22H3b2523+
MFCD18244626
ZINC000009008129
ZINC000009067694
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.